USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 183 hydrogens (10 hets) HEADER RNA 05-NOV-98 1BZT TITLE STABILIZATION OF THE ANTICODON STEM-LOOP OF TRNALYS,3 BY AN TITLE 2 A+C BASE PAIR AND BY PSEUDOURIDINE, NMR, 1 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRNA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: ANTICODON (RESIDUES 27-43); COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS TRNA, PSEUDOURIDINE, ANTICODON EXPDTA SOLUTION NMR AUTHOR P.C.DURANT,D.R.DAVIS REVDAT 3 24-FEB-09 1BZT 1 VERSN REVDAT 2 01-APR-03 1BZT 1 JRNL REVDAT 1 27-APR-99 1BZT 0 JRNL AUTH P.C.DURANT,D.R.DAVIS JRNL TITL STABILIZATION OF THE ANTICODON STEM-LOOP OF JRNL TITL 2 TRNALYS,3 BY AN A+-C BASE-PAIR AND BY JRNL TITL 3 PSEUDOURIDINE. JRNL REF J.MOL.BIOL. V. 285 115 1999 JRNL REFN ISSN 0022-2836 JRNL PMID 9878393 JRNL DOI 10.1006/JMBI.1998.2297 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER 95 REMARK 3 AUTHORS : MSI REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: AMBER FORCEFIELD REMARK 4 REMARK 4 1BZT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 5 REMARK 210 IONIC STRENGTH : 100 MM NACL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : H2O/D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, ROESY, TOCSY, HMQC, 1H REMARK 210 -31P COSY, 1H-31P HETERO-TOCSY REMARK 210 -TOCSY, DQCOSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITY 500 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR, FELIX, DISCOVER REMARK 210 METHOD USED : MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: LOWEST RMSD DIFFERENCE FROM AVERAGE STRUCTURE. REMARK 210 STRUCTURE WAS DETERMINED USING RESTRAINTS FROM HOMONUCLEAR REMARK 210 ROESY, DQCOSY AND NOESY DATA. ASSIGNMENTS WERE MADE WITH A REMARK 210 COMBINATION OF ROESY, NOESY, TOCSY, 1H-13C HMQC AND 1H-31P. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 U A 27 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES REMARK 500 C A 28 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES REMARK 500 A A 31 O4' - C1' - N9 ANGL. DEV. = 5.6 DEGREES REMARK 500 U A 36 C5' - C4' - C3' ANGL. DEV. = 13.4 DEGREES REMARK 500 U A 36 C5' - C4' - O4' ANGL. DEV. = -7.9 DEGREES REMARK 500 U A 36 C3' - C2' - C1' ANGL. DEV. = 5.4 DEGREES REMARK 500 A A 37 C3' - C2' - C1' ANGL. DEV. = 7.6 DEGREES REMARK 500 U A 36 C3' - O3' - P ANGL. DEV. = 8.3 DEGREES REMARK 500 A A 38 O4' - C1' - N9 ANGL. DEV. = 4.8 DEGREES REMARK 500 U A 41 O4' - C1' - N1 ANGL. DEV. = 5.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 A A 31 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1BZT A 27 43 PDB 1BZT 1BZT 27 43 SEQRES 1 A 17 U C A G A C U U U U A A PSU SEQRES 2 A 17 C U G A MODRES 1BZT PSU A 39 U PSEUDOURIDINE-5'-MONOPHOSPHATE HET PSU A 39 30 HETNAM PSU PSEUDOURIDINE-5'-MONOPHOSPHATE FORMUL 1 PSU C9 H13 N2 O9 P LINK O3' A A 38 P PSU A 39 1555 1555 1.63 LINK O3' PSU A 39 P C A 40 1555 1555 1.62 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 27 U O2' : rot -25:sc= 0.0723 USER MOD Single : A 27 U O5' : rot 180:sc= 0 USER MOD Single : A 28 C O2' : rot -22:sc= 0.0563 USER MOD Single : A 29 A O2' : rot -20:sc= 0.0923 USER MOD Single : A 30 G O2' : rot -15:sc= 0.0651 USER MOD Single : A 31 A O2' : rot -30:sc= 0.168 USER MOD Single : A 32 C O2' : rot -108:sc= 0.267 USER MOD Single : A 33 U O2' : rot -74:sc= 0.468 USER MOD Single : A 34 U O2' : rot 17:sc= 0.686 USER MOD Single : A 35 U O2' : rot -59:sc= 1.07 USER MOD Single : A 36 U O2' : rot 80:sc= 0.991 USER MOD Single : A 37 A O2' : rot -153:sc= 0.197 USER MOD Single : A 38 A O2' : rot -29:sc= 0.025 USER MOD Single : A 39 PSU O2' : rot -131:sc= 0.0672 USER MOD Single : A 40 C O2' : rot -16:sc= 0.107 USER MOD Single : A 41 U O2' : rot -17:sc= 0.0512 USER MOD Single : A 42 G O2' : rot -28:sc= 0.115 USER MOD Single : A 43 A O2' : rot -25:sc= 0.295 USER MOD Single : A 43 A O3' : rot 180:sc= 0.236 USER MOD ----------------------------------------------------------------- ATOM 1 O5' U A 27 4.507 -5.290 3.457 1.00 0.00 O ATOM 2 C5' U A 27 5.536 -6.178 3.081 1.00 0.00 C ATOM 3 C4' U A 27 6.912 -5.505 3.065 1.00 0.00 C ATOM 4 O4' U A 27 7.017 -4.488 2.067 1.00 0.00 O ATOM 5 C3' U A 27 7.295 -4.835 4.379 1.00 0.00 C ATOM 6 O3' U A 27 7.797 -5.750 5.330 1.00 0.00 O ATOM 7 C2' U A 27 8.369 -3.886 3.876 1.00 0.00 C ATOM 8 O2' U A 27 9.541 -4.602 3.554 1.00 0.00 O ATOM 9 C1' U A 27 7.740 -3.365 2.582 1.00 0.00 C ATOM 10 N1 U A 27 6.884 -2.170 2.846 1.00 0.00 N ATOM 11 C2 U A 27 7.543 -0.998 3.198 1.00 0.00 C ATOM 12 O2 U A 27 8.767 -0.932 3.299 1.00 0.00 O ATOM 13 N3 U A 27 6.753 0.115 3.439 1.00 0.00 N ATOM 14 C4 U A 27 5.375 0.178 3.322 1.00 0.00 C ATOM 15 O4 U A 27 4.768 1.216 3.579 1.00 0.00 O ATOM 16 C5 U A 27 4.776 -1.056 2.876 1.00 0.00 C ATOM 17 C6 U A 27 5.523 -2.161 2.656 1.00 0.00 C ATOM 0 H5' U A 27 5.320 -6.581 2.092 1.00 0.00 H new ATOM 0 H5'' U A 27 5.555 -7.021 3.772 1.00 0.00 H new ATOM 0 H4' U A 27 7.584 -6.339 2.861 1.00 0.00 H new ATOM 0 H3' U A 27 6.468 -4.363 4.909 1.00 0.00 H new ATOM 0 H2' U A 27 8.648 -3.117 4.597 1.00 0.00 H new ATOM 0 HO2' U A 27 9.568 -5.435 4.070 1.00 0.00 H new ATOM 0 HO5' U A 27 3.649 -5.763 3.451 1.00 0.00 H new ATOM 0 H1' U A 27 8.471 -3.009 1.856 1.00 0.00 H new ATOM 0 H3 U A 27 7.232 0.967 3.730 1.00 0.00 H new ATOM 0 H5 U A 27 3.709 -1.098 2.715 1.00 0.00 H new ATOM 0 H6 U A 27 5.035 -3.064 2.321 1.00 0.00 H new ATOM 29 P C A 28 7.769 -5.408 6.908 1.00 0.00 P ATOM 30 OP1 C A 28 8.405 -6.531 7.632 1.00 0.00 O ATOM 31 OP2 C A 28 6.391 -4.999 7.260 1.00 0.00 O ATOM 32 O5' C A 28 8.723 -4.118 7.059 1.00 0.00 O ATOM 33 C5' C A 28 10.124 -4.244 6.993 1.00 0.00 C ATOM 34 C4' C A 28 10.803 -2.883 7.150 1.00 0.00 C ATOM 35 O4' C A 28 10.356 -1.968 6.164 1.00 0.00 O ATOM 36 C3' C A 28 10.511 -2.184 8.473 1.00 0.00 C ATOM 37 O3' C A 28 11.232 -2.716 9.565 1.00 0.00 O ATOM 38 C2' C A 28 10.979 -0.783 8.112 1.00 0.00 C ATOM 39 O2' C A 28 12.388 -0.716 8.060 1.00 0.00 O ATOM 40 C1' C A 28 10.418 -0.650 6.698 1.00 0.00 C ATOM 41 N1 C A 28 9.097 0.033 6.762 1.00 0.00 N ATOM 42 C2 C A 28 9.105 1.407 6.964 1.00 0.00 C ATOM 43 O2 C A 28 10.163 2.018 7.099 1.00 0.00 O ATOM 44 N3 C A 28 7.916 2.059 7.022 1.00 0.00 N ATOM 45 C4 C A 28 6.754 1.407 6.907 1.00 0.00 C ATOM 46 N4 C A 28 5.608 2.098 6.967 1.00 0.00 N ATOM 47 C5 C A 28 6.722 -0.012 6.742 1.00 0.00 C ATOM 48 C6 C A 28 7.911 -0.647 6.677 1.00 0.00 C ATOM 0 H5' C A 28 10.408 -4.689 6.039 1.00 0.00 H new ATOM 0 H5'' C A 28 10.470 -4.920 7.776 1.00 0.00 H new ATOM 0 H4' C A 28 11.864 -3.122 7.072 1.00 0.00 H new ATOM 0 H3' C A 28 9.479 -2.272 8.812 1.00 0.00 H new ATOM 0 H2' C A 28 10.664 -0.016 8.819 1.00 0.00 H new ATOM 0 HO2' C A 28 12.770 -1.446 8.590 1.00 0.00 H new ATOM 0 H1' C A 28 11.039 -0.039 6.043 1.00 0.00 H new ATOM 0 H41 C A 28 4.715 1.613 6.881 1.00 0.00 H new ATOM 0 H42 C A 28 5.629 3.109 7.099 1.00 0.00 H new ATOM 0 H5 C A 28 5.789 -0.552 6.672 1.00 0.00 H new ATOM 0 H6 C A 28 7.928 -1.720 6.555 1.00 0.00 H new ATOM 60 P A A 29 10.754 -2.439 11.084 1.00 0.00 P ATOM 61 OP1 A A 29 11.703 -3.120 11.993 1.00 0.00 O ATOM 62 OP2 A A 29 9.309 -2.748 11.173 1.00 0.00 O ATOM 63 O5' A A 29 10.937 -0.850 11.279 1.00 0.00 O ATOM 64 C5' A A 29 12.219 -0.302 11.479 1.00 0.00 C ATOM 65 C4' A A 29 12.140 1.216 11.628 1.00 0.00 C ATOM 66 O4' A A 29 11.452 1.798 10.536 1.00 0.00 O ATOM 67 C3' A A 29 11.358 1.673 12.854 1.00 0.00 C ATOM 68 O3' A A 29 12.083 1.539 14.059 1.00 0.00 O ATOM 69 C2' A A 29 11.158 3.132 12.470 1.00 0.00 C ATOM 70 O2' A A 29 12.348 3.866 12.658 1.00 0.00 O ATOM 71 C1' A A 29 10.877 3.018 10.980 1.00 0.00 C ATOM 72 N9 A A 29 9.418 3.029 10.767 1.00 0.00 N ATOM 73 C8 A A 29 8.583 1.983 10.483 1.00 0.00 C ATOM 74 N7 A A 29 7.330 2.323 10.358 1.00 0.00 N ATOM 75 C5 A A 29 7.335 3.697 10.579 1.00 0.00 C ATOM 76 C6 A A 29 6.317 4.665 10.591 1.00 0.00 C ATOM 77 N6 A A 29 5.028 4.380 10.358 1.00 0.00 N ATOM 78 N1 A A 29 6.670 5.932 10.851 1.00 0.00 N ATOM 79 C2 A A 29 7.944 6.215 11.083 1.00 0.00 C ATOM 80 N3 A A 29 8.991 5.404 11.100 1.00 0.00 N ATOM 81 C4 A A 29 8.606 4.135 10.835 1.00 0.00 C ATOM 0 H5' A A 29 12.864 -0.557 10.638 1.00 0.00 H new ATOM 0 H5'' A A 29 12.671 -0.737 12.371 1.00 0.00 H new ATOM 0 H4' A A 29 13.182 1.527 11.699 1.00 0.00 H new ATOM 0 H3' A A 29 10.453 1.102 13.060 1.00 0.00 H new ATOM 0 H2' A A 29 10.385 3.634 13.052 1.00 0.00 H new ATOM 0 HO2' A A 29 12.937 3.383 13.275 1.00 0.00 H new ATOM 0 H1' A A 29 11.305 3.850 10.420 1.00 0.00 H new ATOM 0 H8 A A 29 8.930 0.966 10.372 1.00 0.00 H new ATOM 0 H61 A A 29 4.330 5.123 10.379 1.00 0.00 H new ATOM 0 H62 A A 29 4.746 3.420 10.160 1.00 0.00 H new ATOM 0 H2 A A 29 8.159 7.254 11.287 1.00 0.00 H new ATOM 93 P G A 30 11.329 1.559 15.489 1.00 0.00 P ATOM 94 OP1 G A 30 12.347 1.361 16.545 1.00 0.00 O ATOM 95 OP2 G A 30 10.171 0.641 15.410 1.00 0.00 O ATOM 96 O5' G A 30 10.765 3.062 15.624 1.00 0.00 O ATOM 97 C5' G A 30 11.628 4.122 15.965 1.00 0.00 C ATOM 98 C4' G A 30 10.875 5.451 15.945 1.00 0.00 C ATOM 99 O4' G A 30 10.155 5.612 14.737 1.00 0.00 O ATOM 100 C3' G A 30 9.833 5.588 17.047 1.00 0.00 C ATOM 101 O3' G A 30 10.429 5.867 18.299 1.00 0.00 O ATOM 102 C2' G A 30 9.039 6.760 16.489 1.00 0.00 C ATOM 103 O2' G A 30 9.723 7.978 16.689 1.00 0.00 O ATOM 104 C1' G A 30 9.021 6.426 14.997 1.00 0.00 C ATOM 105 N9 G A 30 7.784 5.686 14.689 1.00 0.00 N ATOM 106 C8 G A 30 7.612 4.340 14.518 1.00 0.00 C ATOM 107 N7 G A 30 6.388 3.990 14.243 1.00 0.00 N ATOM 108 C5 G A 30 5.693 5.194 14.239 1.00 0.00 C ATOM 109 C6 G A 30 4.315 5.444 14.005 1.00 0.00 C ATOM 110 O6 G A 30 3.429 4.636 13.736 1.00 0.00 O ATOM 111 N1 G A 30 4.019 6.795 14.114 1.00 0.00 N ATOM 112 C2 G A 30 4.931 7.787 14.409 1.00 0.00 C ATOM 113 N2 G A 30 4.453 9.036 14.491 1.00 0.00 N ATOM 114 N3 G A 30 6.232 7.554 14.619 1.00 0.00 N ATOM 115 C4 G A 30 6.537 6.238 14.519 1.00 0.00 C ATOM 0 H5' G A 30 12.462 4.159 15.265 1.00 0.00 H new ATOM 0 H5'' G A 30 12.050 3.951 16.955 1.00 0.00 H new ATOM 0 H4' G A 30 11.659 6.197 16.076 1.00 0.00 H new ATOM 0 H3' G A 30 9.240 4.697 17.255 1.00 0.00 H new ATOM 0 H2' G A 30 8.059 6.884 16.949 1.00 0.00 H new ATOM 0 HO2' G A 30 10.440 7.847 17.344 1.00 0.00 H new ATOM 0 H1' G A 30 9.051 7.326 14.384 1.00 0.00 H new ATOM 0 H8 G A 30 8.421 3.629 14.604 1.00 0.00 H new ATOM 0 H1 G A 30 3.050 7.077 13.964 1.00 0.00 H new ATOM 0 H21 G A 30 5.082 9.810 14.706 1.00 0.00 H new ATOM 0 H22 G A 30 3.460 9.213 14.338 1.00 0.00 H new ATOM 127 P A A 31 9.632 5.643 19.687 1.00 0.00 P ATOM 128 OP1 A A 31 10.581 5.876 20.799 1.00 0.00 O ATOM 129 OP2 A A 31 8.907 4.354 19.605 1.00 0.00 O ATOM 130 O5' A A 31 8.544 6.827 19.716 1.00 0.00 O ATOM 131 C5' A A 31 8.937 8.149 20.000 1.00 0.00 C ATOM 132 C4' A A 31 7.740 9.097 19.958 1.00 0.00 C ATOM 133 O4' A A 31 7.031 8.979 18.721 1.00 0.00 O ATOM 134 C3' A A 31 6.704 8.820 21.041 1.00 0.00 C ATOM 135 O3' A A 31 7.027 9.427 22.277 1.00 0.00 O ATOM 136 C2' A A 31 5.481 9.475 20.419 1.00 0.00 C ATOM 137 O2' A A 31 5.534 10.872 20.606 1.00 0.00 O ATOM 138 C1' A A 31 5.629 9.152 18.942 1.00 0.00 C ATOM 139 N9 A A 31 4.822 7.957 18.643 1.00 0.00 N ATOM 140 C8 A A 31 5.228 6.674 18.433 1.00 0.00 C ATOM 141 N7 A A 31 4.289 5.872 18.013 1.00 0.00 N ATOM 142 C5 A A 31 3.158 6.682 17.981 1.00 0.00 C ATOM 143 C6 A A 31 1.822 6.440 17.620 1.00 0.00 C ATOM 144 N6 A A 31 1.392 5.257 17.153 1.00 0.00 N ATOM 145 N1 A A 31 0.946 7.441 17.801 1.00 0.00 N ATOM 146 C2 A A 31 1.378 8.607 18.267 1.00 0.00 C ATOM 147 N3 A A 31 2.609 8.975 18.586 1.00 0.00 N ATOM 148 C4 A A 31 3.466 7.943 18.417 1.00 0.00 C ATOM 0 H5' A A 31 9.687 8.472 19.278 1.00 0.00 H new ATOM 0 H5'' A A 31 9.404 8.190 20.984 1.00 0.00 H new ATOM 0 H4' A A 31 8.177 10.085 20.099 1.00 0.00 H new ATOM 0 H3' A A 31 6.599 7.764 21.290 1.00 0.00 H new ATOM 0 H2' A A 31 4.542 9.128 20.850 1.00 0.00 H new ATOM 0 HO2' A A 31 6.017 11.073 21.434 1.00 0.00 H new ATOM 0 H1' A A 31 5.265 9.933 18.275 1.00 0.00 H new ATOM 0 H8 A A 31 6.244 6.348 18.600 1.00 0.00 H new ATOM 0 H61 A A 31 0.410 5.133 16.905 1.00 0.00 H new ATOM 0 H62 A A 31 2.047 4.482 17.046 1.00 0.00 H new ATOM 0 H2 A A 31 0.618 9.362 18.405 1.00 0.00 H new ATOM 160 P C A 32 6.413 8.876 23.667 1.00 0.00 P ATOM 161 OP1 C A 32 6.830 9.797 24.748 1.00 0.00 O ATOM 162 OP2 C A 32 6.748 7.437 23.765 1.00 0.00 O ATOM 163 O5' C A 32 4.813 8.997 23.503 1.00 0.00 O ATOM 164 C5' C A 32 4.136 10.217 23.705 1.00 0.00 C ATOM 165 C4' C A 32 2.642 10.065 23.395 1.00 0.00 C ATOM 166 O4' C A 32 2.429 9.689 22.050 1.00 0.00 O ATOM 167 C3' C A 32 1.895 9.053 24.264 1.00 0.00 C ATOM 168 O3' C A 32 1.601 9.668 25.507 1.00 0.00 O ATOM 169 C2' C A 32 0.680 8.819 23.380 1.00 0.00 C ATOM 170 O2' C A 32 -0.317 9.781 23.646 1.00 0.00 O ATOM 171 C1' C A 32 1.205 8.984 21.957 1.00 0.00 C ATOM 172 N1 C A 32 1.423 7.617 21.403 1.00 0.00 N ATOM 173 C2 C A 32 0.363 7.006 20.747 1.00 0.00 C ATOM 174 O2 C A 32 -0.730 7.561 20.650 1.00 0.00 O ATOM 175 N3 C A 32 0.557 5.769 20.221 1.00 0.00 N ATOM 176 C4 C A 32 1.726 5.130 20.337 1.00 0.00 C ATOM 177 N4 C A 32 1.864 3.916 19.787 1.00 0.00 N ATOM 178 C5 C A 32 2.814 5.717 21.051 1.00 0.00 C ATOM 179 C6 C A 32 2.606 6.942 21.577 1.00 0.00 C ATOM 0 H5' C A 32 4.568 10.988 23.068 1.00 0.00 H new ATOM 0 H5'' C A 32 4.267 10.545 24.736 1.00 0.00 H new ATOM 0 H4' C A 32 2.242 11.055 23.612 1.00 0.00 H new ATOM 0 H3' C A 32 2.404 8.127 24.532 1.00 0.00 H new ATOM 0 H2' C A 32 0.228 7.842 23.549 1.00 0.00 H new ATOM 0 HO2' C A 32 -1.064 9.356 24.117 1.00 0.00 H new ATOM 0 H1' C A 32 0.517 9.528 21.310 1.00 0.00 H new ATOM 0 H41 C A 32 2.750 3.417 19.868 1.00 0.00 H new ATOM 0 H42 C A 32 1.083 3.491 19.288 1.00 0.00 H new ATOM 0 H5 C A 32 3.758 5.205 21.165 1.00 0.00 H new ATOM 0 H6 C A 32 3.394 7.406 22.152 1.00 0.00 H new ATOM 191 P U A 33 1.302 8.829 26.857 1.00 0.00 P ATOM 192 OP1 U A 33 1.307 9.778 27.993 1.00 0.00 O ATOM 193 OP2 U A 33 2.197 7.650 26.888 1.00 0.00 O ATOM 194 O5' U A 33 -0.205 8.310 26.664 1.00 0.00 O ATOM 195 C5' U A 33 -1.304 9.171 26.853 1.00 0.00 C ATOM 196 C4' U A 33 -2.584 8.491 26.368 1.00 0.00 C ATOM 197 O4' U A 33 -2.323 7.954 25.078 1.00 0.00 O ATOM 198 C3' U A 33 -3.011 7.308 27.251 1.00 0.00 C ATOM 199 O3' U A 33 -4.081 7.579 28.148 1.00 0.00 O ATOM 200 C2' U A 33 -3.370 6.192 26.277 1.00 0.00 C ATOM 201 O2' U A 33 -4.758 5.964 26.277 1.00 0.00 O ATOM 202 C1' U A 33 -3.043 6.742 24.895 1.00 0.00 C ATOM 203 N1 U A 33 -2.206 5.755 24.169 1.00 0.00 N ATOM 204 C2 U A 33 -2.743 4.979 23.149 1.00 0.00 C ATOM 205 O2 U A 33 -3.908 5.071 22.768 1.00 0.00 O ATOM 206 N3 U A 33 -1.880 4.058 22.569 1.00 0.00 N ATOM 207 C4 U A 33 -0.568 3.810 22.946 1.00 0.00 C ATOM 208 O4 U A 33 0.106 2.966 22.360 1.00 0.00 O ATOM 209 C5 U A 33 -0.122 4.613 24.059 1.00 0.00 C ATOM 210 C6 U A 33 -0.935 5.539 24.605 1.00 0.00 C ATOM 0 H5' U A 33 -1.147 10.102 26.308 1.00 0.00 H new ATOM 0 H5'' U A 33 -1.397 9.431 27.907 1.00 0.00 H new ATOM 0 H4' U A 33 -3.376 9.240 26.385 1.00 0.00 H new ATOM 0 H3' U A 33 -2.193 7.045 27.922 1.00 0.00 H new ATOM 0 H2' U A 33 -2.842 5.276 26.541 1.00 0.00 H new ATOM 0 HO2' U A 33 -5.014 5.503 27.103 1.00 0.00 H new ATOM 0 H1' U A 33 -3.948 6.926 24.316 1.00 0.00 H new ATOM 0 H3 U A 33 -2.246 3.511 21.790 1.00 0.00 H new ATOM 0 H5 U A 33 0.872 4.471 24.458 1.00 0.00 H new ATOM 0 H6 U A 33 -0.562 6.136 25.424 1.00 0.00 H new ATOM 221 P U A 34 -4.517 6.505 29.295 1.00 0.00 P ATOM 222 OP1 U A 34 -4.995 7.275 30.465 1.00 0.00 O ATOM 223 OP2 U A 34 -3.407 5.541 29.468 1.00 0.00 O ATOM 224 O5' U A 34 -5.786 5.685 28.708 1.00 0.00 O ATOM 225 C5' U A 34 -7.111 6.022 29.075 1.00 0.00 C ATOM 226 C4' U A 34 -8.237 5.371 28.244 1.00 0.00 C ATOM 227 O4' U A 34 -8.923 6.418 27.593 1.00 0.00 O ATOM 228 C3' U A 34 -7.886 4.312 27.182 1.00 0.00 C ATOM 229 O3' U A 34 -8.416 3.045 27.524 1.00 0.00 O ATOM 230 C2' U A 34 -8.604 4.770 25.923 1.00 0.00 C ATOM 231 O2' U A 34 -9.461 3.736 25.493 1.00 0.00 O ATOM 232 C1' U A 34 -9.455 5.960 26.367 1.00 0.00 C ATOM 233 N1 U A 34 -9.238 7.082 25.421 1.00 0.00 N ATOM 234 C2 U A 34 -10.284 7.577 24.656 1.00 0.00 C ATOM 235 O2 U A 34 -11.415 7.095 24.668 1.00 0.00 O ATOM 236 N3 U A 34 -9.980 8.671 23.855 1.00 0.00 N ATOM 237 C4 U A 34 -8.746 9.299 23.752 1.00 0.00 C ATOM 238 O4 U A 34 -8.595 10.267 23.010 1.00 0.00 O ATOM 239 C5 U A 34 -7.717 8.709 24.575 1.00 0.00 C ATOM 240 C6 U A 34 -7.996 7.652 25.366 1.00 0.00 C ATOM 0 H5' U A 34 -7.219 7.105 29.009 1.00 0.00 H new ATOM 0 H5'' U A 34 -7.256 5.750 30.120 1.00 0.00 H new ATOM 0 H4' U A 34 -8.803 4.799 28.979 1.00 0.00 H new ATOM 0 H3' U A 34 -6.805 4.218 27.079 1.00 0.00 H new ATOM 0 H2' U A 34 -7.917 5.024 25.116 1.00 0.00 H new ATOM 0 HO2' U A 34 -9.593 3.096 26.223 1.00 0.00 H new ATOM 0 H1' U A 34 -10.503 5.667 26.426 1.00 0.00 H new ATOM 0 H3 U A 34 -10.738 9.050 23.287 1.00 0.00 H new ATOM 0 H5 U A 34 -6.717 9.116 24.557 1.00 0.00 H new ATOM 0 H6 U A 34 -7.208 7.240 25.979 1.00 0.00 H new ATOM 251 P U A 35 -7.589 1.953 28.377 1.00 0.00 P ATOM 252 OP1 U A 35 -8.522 0.855 28.715 1.00 0.00 O ATOM 253 OP2 U A 35 -6.887 2.670 29.465 1.00 0.00 O ATOM 254 O5' U A 35 -6.469 1.347 27.384 1.00 0.00 O ATOM 255 C5' U A 35 -6.799 0.770 26.135 1.00 0.00 C ATOM 256 C4' U A 35 -5.764 -0.305 25.795 1.00 0.00 C ATOM 257 O4' U A 35 -4.478 0.261 25.951 1.00 0.00 O ATOM 258 C3' U A 35 -5.840 -1.532 26.733 1.00 0.00 C ATOM 259 O3' U A 35 -6.035 -2.704 25.968 1.00 0.00 O ATOM 260 C2' U A 35 -4.456 -1.587 27.370 1.00 0.00 C ATOM 261 O2' U A 35 -3.952 -2.901 27.438 1.00 0.00 O ATOM 262 C1' U A 35 -3.614 -0.753 26.413 1.00 0.00 C ATOM 263 N1 U A 35 -2.438 -0.165 27.103 1.00 0.00 N ATOM 264 C2 U A 35 -1.168 -0.662 26.835 1.00 0.00 C ATOM 265 O2 U A 35 -0.957 -1.611 26.082 1.00 0.00 O ATOM 266 N3 U A 35 -0.116 -0.024 27.476 1.00 0.00 N ATOM 267 C4 U A 35 -0.218 1.039 28.360 1.00 0.00 C ATOM 268 O4 U A 35 0.787 1.536 28.862 1.00 0.00 O ATOM 269 C5 U A 35 -1.574 1.462 28.611 1.00 0.00 C ATOM 270 C6 U A 35 -2.615 0.861 27.991 1.00 0.00 C ATOM 0 H5' U A 35 -6.816 1.535 25.359 1.00 0.00 H new ATOM 0 H5'' U A 35 -7.797 0.333 26.174 1.00 0.00 H new ATOM 0 H4' U A 35 -5.964 -0.640 24.777 1.00 0.00 H new ATOM 0 H3' U A 35 -6.652 -1.461 27.457 1.00 0.00 H new ATOM 0 H2' U A 35 -4.459 -1.227 28.399 1.00 0.00 H new ATOM 0 HO2' U A 35 -4.567 -3.461 27.957 1.00 0.00 H new ATOM 0 H1' U A 35 -3.216 -1.358 25.598 1.00 0.00 H new ATOM 0 H3 U A 35 0.823 -0.370 27.278 1.00 0.00 H new ATOM 0 H5 U A 35 -1.761 2.270 29.303 1.00 0.00 H new ATOM 0 H6 U A 35 -3.618 1.202 28.203 1.00 0.00 H new ATOM 281 P U A 36 -6.671 -4.091 26.553 1.00 0.00 P ATOM 282 OP1 U A 36 -8.143 -4.031 26.410 1.00 0.00 O ATOM 283 OP2 U A 36 -6.066 -4.402 27.867 1.00 0.00 O ATOM 284 O5' U A 36 -6.086 -5.125 25.454 1.00 0.00 O ATOM 285 C5' U A 36 -6.483 -4.957 24.119 1.00 0.00 C ATOM 286 C4' U A 36 -5.439 -5.271 23.046 1.00 0.00 C ATOM 287 O4' U A 36 -4.212 -4.961 23.749 1.00 0.00 O ATOM 288 C3' U A 36 -5.155 -6.575 22.337 1.00 0.00 C ATOM 289 O3' U A 36 -5.538 -6.422 20.959 1.00 0.00 O ATOM 290 C2' U A 36 -3.747 -6.992 22.699 1.00 0.00 C ATOM 291 O2' U A 36 -2.950 -7.575 21.692 1.00 0.00 O ATOM 292 C1' U A 36 -3.106 -5.815 23.409 1.00 0.00 C ATOM 293 N1 U A 36 -2.490 -6.278 24.699 1.00 0.00 N ATOM 294 C2 U A 36 -1.101 -6.231 24.869 1.00 0.00 C ATOM 295 O2 U A 36 -0.301 -5.925 23.986 1.00 0.00 O ATOM 296 N3 U A 36 -0.621 -6.563 26.128 1.00 0.00 N ATOM 297 C4 U A 36 -1.371 -6.961 27.221 1.00 0.00 C ATOM 298 O4 U A 36 -0.833 -7.217 28.296 1.00 0.00 O ATOM 299 C5 U A 36 -2.782 -7.042 26.949 1.00 0.00 C ATOM 300 C6 U A 36 -3.280 -6.704 25.741 1.00 0.00 C ATOM 0 H5' U A 36 -6.806 -3.924 23.988 1.00 0.00 H new ATOM 0 H5'' U A 36 -7.354 -5.588 23.941 1.00 0.00 H new ATOM 0 H4' U A 36 -5.860 -4.743 22.191 1.00 0.00 H new ATOM 0 H3' U A 36 -5.747 -7.436 22.647 1.00 0.00 H new ATOM 0 H2' U A 36 -3.824 -7.858 23.357 1.00 0.00 H new ATOM 0 HO2' U A 36 -2.577 -6.871 21.122 1.00 0.00 H new ATOM 0 H1' U A 36 -2.342 -5.336 22.797 1.00 0.00 H new ATOM 0 H3 U A 36 0.389 -6.508 26.262 1.00 0.00 H new ATOM 0 H5 U A 36 -3.454 -7.379 27.725 1.00 0.00 H new ATOM 0 H6 U A 36 -4.347 -6.771 25.586 1.00 0.00 H new ATOM 311 P A A 37 -4.600 -5.968 19.699 1.00 0.00 P ATOM 312 OP1 A A 37 -4.691 -7.023 18.666 1.00 0.00 O ATOM 313 OP2 A A 37 -3.273 -5.554 20.206 1.00 0.00 O ATOM 314 O5' A A 37 -5.267 -4.621 19.091 1.00 0.00 O ATOM 315 C5' A A 37 -6.616 -4.494 18.704 1.00 0.00 C ATOM 316 C4' A A 37 -6.979 -3.031 18.987 1.00 0.00 C ATOM 317 O4' A A 37 -6.541 -2.776 20.313 1.00 0.00 O ATOM 318 C3' A A 37 -6.334 -1.986 18.053 1.00 0.00 C ATOM 319 O3' A A 37 -7.318 -1.461 17.172 1.00 0.00 O ATOM 320 C2' A A 37 -5.786 -0.984 19.030 1.00 0.00 C ATOM 321 O2' A A 37 -6.598 0.141 18.993 1.00 0.00 O ATOM 322 C1' A A 37 -6.079 -1.445 20.419 1.00 0.00 C ATOM 323 N9 A A 37 -4.845 -1.356 21.189 1.00 0.00 N ATOM 324 C8 A A 37 -3.830 -2.242 21.154 1.00 0.00 C ATOM 325 N7 A A 37 -2.777 -1.896 21.841 1.00 0.00 N ATOM 326 C5 A A 37 -3.128 -0.642 22.340 1.00 0.00 C ATOM 327 C6 A A 37 -2.439 0.308 23.111 1.00 0.00 C ATOM 328 N6 A A 37 -1.204 0.114 23.592 1.00 0.00 N ATOM 329 N1 A A 37 -3.054 1.479 23.338 1.00 0.00 N ATOM 330 C2 A A 37 -4.269 1.678 22.845 1.00 0.00 C ATOM 331 N3 A A 37 -5.029 0.869 22.130 1.00 0.00 N ATOM 332 C4 A A 37 -4.382 -0.294 21.915 1.00 0.00 C ATOM 0 H5' A A 37 -7.253 -5.174 19.269 1.00 0.00 H new ATOM 0 H5'' A A 37 -6.748 -4.736 17.649 1.00 0.00 H new ATOM 0 H4' A A 37 -8.052 -2.923 18.826 1.00 0.00 H new ATOM 0 H3' A A 37 -5.555 -2.361 17.389 1.00 0.00 H new ATOM 0 H2' A A 37 -4.732 -0.832 18.797 1.00 0.00 H new ATOM 0 HO2' A A 37 -6.076 0.930 19.248 1.00 0.00 H new ATOM 0 H1' A A 37 -6.834 -0.842 20.922 1.00 0.00 H new ATOM 0 H8 A A 37 -3.885 -3.167 20.600 1.00 0.00 H new ATOM 0 H61 A A 37 -0.753 0.841 24.147 1.00 0.00 H new ATOM 0 H62 A A 37 -0.715 -0.761 23.403 1.00 0.00 H new ATOM 0 H2 A A 37 -4.700 2.644 23.060 1.00 0.00 H new ATOM 344 P A A 38 -7.006 -0.372 15.999 1.00 0.00 P ATOM 345 OP1 A A 38 -7.873 -0.685 14.842 1.00 0.00 O ATOM 346 OP2 A A 38 -5.540 -0.233 15.808 1.00 0.00 O ATOM 347 O5' A A 38 -7.491 1.027 16.613 1.00 0.00 O ATOM 348 C5' A A 38 -8.754 1.260 17.181 1.00 0.00 C ATOM 349 C4' A A 38 -8.661 2.577 17.964 1.00 0.00 C ATOM 350 O4' A A 38 -7.831 2.394 19.099 1.00 0.00 O ATOM 351 C3' A A 38 -8.049 3.764 17.214 1.00 0.00 C ATOM 352 O3' A A 38 -8.956 4.409 16.335 1.00 0.00 O ATOM 353 C2' A A 38 -7.640 4.620 18.402 1.00 0.00 C ATOM 354 O2' A A 38 -8.768 5.205 19.014 1.00 0.00 O ATOM 355 C1' A A 38 -7.041 3.550 19.316 1.00 0.00 C ATOM 356 N9 A A 38 -5.615 3.365 18.942 1.00 0.00 N ATOM 357 C8 A A 38 -4.968 2.380 18.222 1.00 0.00 C ATOM 358 N7 A A 38 -3.685 2.562 18.100 1.00 0.00 N ATOM 359 C5 A A 38 -3.455 3.752 18.770 1.00 0.00 C ATOM 360 C6 A A 38 -2.289 4.493 18.998 1.00 0.00 C ATOM 361 N6 A A 38 -1.077 4.115 18.567 1.00 0.00 N ATOM 362 N1 A A 38 -2.439 5.631 19.682 1.00 0.00 N ATOM 363 C2 A A 38 -3.626 6.018 20.122 1.00 0.00 C ATOM 364 N3 A A 38 -4.787 5.401 19.980 1.00 0.00 N ATOM 365 C4 A A 38 -4.623 4.255 19.278 1.00 0.00 C ATOM 0 H5' A A 38 -9.037 0.439 17.840 1.00 0.00 H new ATOM 0 H5'' A A 38 -9.518 1.325 16.407 1.00 0.00 H new ATOM 0 H4' A A 38 -9.701 2.816 18.188 1.00 0.00 H new ATOM 0 H3' A A 38 -7.240 3.509 16.530 1.00 0.00 H new ATOM 0 H2' A A 38 -6.977 5.450 18.157 1.00 0.00 H new ATOM 0 HO2' A A 38 -9.470 5.340 18.344 1.00 0.00 H new ATOM 0 H1' A A 38 -7.052 3.805 20.376 1.00 0.00 H new ATOM 0 H8 A A 38 -5.483 1.531 17.797 1.00 0.00 H new ATOM 0 H61 A A 38 -0.262 4.696 18.763 1.00 0.00 H new ATOM 0 H62 A A 38 -0.970 3.246 18.043 1.00 0.00 H new ATOM 0 H2 A A 38 -3.649 6.952 20.663 1.00 0.00 H new HETATM 378 N1 PSU A 39 -3.541 4.659 15.699 1.00 0.00 N HETATM 379 C2 PSU A 39 -2.178 4.794 15.898 1.00 0.00 C HETATM 380 N3 PSU A 39 -1.766 5.979 16.487 1.00 0.00 N HETATM 381 C4 PSU A 39 -2.585 7.008 16.917 1.00 0.00 C HETATM 382 C5 PSU A 39 -3.994 6.803 16.673 1.00 0.00 C HETATM 383 C6 PSU A 39 -4.413 5.645 16.072 1.00 0.00 C HETATM 384 O2 PSU A 39 -1.370 3.925 15.580 1.00 0.00 O HETATM 385 O4 PSU A 39 -2.101 8.004 17.451 1.00 0.00 O HETATM 386 C1' PSU A 39 -4.912 7.973 17.056 1.00 0.00 C HETATM 387 C2' PSU A 39 -4.814 9.047 15.981 1.00 0.00 C HETATM 388 O2' PSU A 39 -5.052 10.315 16.553 1.00 0.00 O HETATM 389 C3' PSU A 39 -5.921 8.649 15.029 1.00 0.00 C HETATM 390 C4' PSU A 39 -6.986 8.273 16.058 1.00 0.00 C HETATM 391 O3' PSU A 39 -6.297 9.714 14.180 1.00 0.00 O HETATM 392 O4' PSU A 39 -6.277 7.585 17.078 1.00 0.00 O HETATM 393 C5' PSU A 39 -8.142 7.412 15.541 1.00 0.00 C HETATM 394 O5' PSU A 39 -7.615 6.200 15.063 1.00 0.00 O HETATM 395 P PSU A 39 -8.518 4.885 14.844 1.00 0.00 P HETATM 396 OP1 PSU A 39 -9.742 5.295 14.120 1.00 0.00 O HETATM 397 OP2 PSU A 39 -7.635 3.847 14.259 1.00 0.00 O HETATM 0 HO2' PSU A 39 -5.713 10.798 16.014 1.00 0.00 H new HETATM 0 H5'' PSU A 39 -8.861 7.224 16.339 1.00 0.00 H new HETATM 0 HN3 PSU A 39 -0.762 6.105 16.616 1.00 0.00 H new HETATM 0 HN1 PSU A 39 -3.902 3.809 15.266 1.00 0.00 H new HETATM 0 H6 PSU A 39 -5.478 5.505 15.885 1.00 0.00 H new HETATM 0 H5' PSU A 39 -8.676 7.933 14.746 1.00 0.00 H new HETATM 0 H4' PSU A 39 -7.487 9.182 16.390 1.00 0.00 H new HETATM 0 H3' PSU A 39 -5.685 7.862 14.313 1.00 0.00 H new HETATM 0 H2' PSU A 39 -3.841 9.117 15.495 1.00 0.00 H new HETATM 0 H1' PSU A 39 -4.598 8.319 18.041 1.00 0.00 H new ATOM 408 P C A 40 -5.474 10.026 12.822 1.00 0.00 P ATOM 409 OP1 C A 40 -6.110 11.188 12.162 1.00 0.00 O ATOM 410 OP2 C A 40 -5.331 8.755 12.077 1.00 0.00 O ATOM 411 O5' C A 40 -4.005 10.481 13.311 1.00 0.00 O ATOM 412 C5' C A 40 -3.773 11.790 13.781 1.00 0.00 C ATOM 413 C4' C A 40 -2.310 11.988 14.186 1.00 0.00 C ATOM 414 O4' C A 40 -1.902 11.067 15.187 1.00 0.00 O ATOM 415 C3' C A 40 -1.310 11.819 13.047 1.00 0.00 C ATOM 416 O3' C A 40 -1.279 12.945 12.194 1.00 0.00 O ATOM 417 C2' C A 40 -0.041 11.680 13.872 1.00 0.00 C ATOM 418 O2' C A 40 0.387 12.944 14.328 1.00 0.00 O ATOM 419 C1' C A 40 -0.499 10.851 15.069 1.00 0.00 C ATOM 420 N1 C A 40 -0.168 9.420 14.812 1.00 0.00 N ATOM 421 C2 C A 40 1.116 8.986 15.132 1.00 0.00 C ATOM 422 O2 C A 40 1.965 9.766 15.558 1.00 0.00 O ATOM 423 N3 C A 40 1.419 7.674 14.952 1.00 0.00 N ATOM 424 C4 C A 40 0.533 6.818 14.434 1.00 0.00 C ATOM 425 N4 C A 40 0.877 5.532 14.285 1.00 0.00 N ATOM 426 C5 C A 40 -0.758 7.263 14.011 1.00 0.00 C ATOM 427 C6 C A 40 -1.059 8.561 14.220 1.00 0.00 C ATOM 0 H5' C A 40 -4.419 11.991 14.636 1.00 0.00 H new ATOM 0 H5'' C A 40 -4.038 12.509 13.005 1.00 0.00 H new ATOM 0 H4' C A 40 -2.295 13.018 14.541 1.00 0.00 H new ATOM 0 H3' C A 40 -1.512 10.999 12.358 1.00 0.00 H new ATOM 0 H2' C A 40 0.784 11.239 13.312 1.00 0.00 H new ATOM 0 HO2' C A 40 -0.058 13.647 13.809 1.00 0.00 H new ATOM 0 H1' C A 40 -0.006 11.133 15.999 1.00 0.00 H new ATOM 0 H41 C A 40 0.210 4.868 13.891 1.00 0.00 H new ATOM 0 H42 C A 40 1.806 5.217 14.566 1.00 0.00 H new ATOM 0 H5 C A 40 -1.461 6.589 13.544 1.00 0.00 H new ATOM 0 H6 C A 40 -2.025 8.933 13.914 1.00 0.00 H new ATOM 439 P U A 41 -0.760 12.834 10.666 1.00 0.00 P ATOM 440 OP1 U A 41 -0.896 14.169 10.042 1.00 0.00 O ATOM 441 OP2 U A 41 -1.419 11.667 10.038 1.00 0.00 O ATOM 442 O5' U A 41 0.813 12.510 10.792 1.00 0.00 O ATOM 443 C5' U A 41 1.721 13.518 11.166 1.00 0.00 C ATOM 444 C4' U A 41 3.158 12.995 11.221 1.00 0.00 C ATOM 445 O4' U A 41 3.308 11.876 12.097 1.00 0.00 O ATOM 446 C3' U A 41 3.696 12.523 9.878 1.00 0.00 C ATOM 447 O3' U A 41 4.080 13.600 9.047 1.00 0.00 O ATOM 448 C2' U A 41 4.881 11.704 10.364 1.00 0.00 C ATOM 449 O2' U A 41 5.920 12.549 10.806 1.00 0.00 O ATOM 450 C1' U A 41 4.293 10.979 11.574 1.00 0.00 C ATOM 451 N1 U A 41 3.748 9.652 11.160 1.00 0.00 N ATOM 452 C2 U A 41 4.682 8.658 10.889 1.00 0.00 C ATOM 453 O2 U A 41 5.894 8.866 10.909 1.00 0.00 O ATOM 454 N3 U A 41 4.187 7.403 10.573 1.00 0.00 N ATOM 455 C4 U A 41 2.851 7.054 10.481 1.00 0.00 C ATOM 456 O4 U A 41 2.518 5.908 10.190 1.00 0.00 O ATOM 457 C5 U A 41 1.947 8.145 10.755 1.00 0.00 C ATOM 458 C6 U A 41 2.404 9.375 11.078 1.00 0.00 C ATOM 0 H5' U A 41 1.441 13.916 12.141 1.00 0.00 H new ATOM 0 H5'' U A 41 1.661 14.343 10.456 1.00 0.00 H new ATOM 0 H4' U A 41 3.714 13.864 11.574 1.00 0.00 H new ATOM 0 H3' U A 41 2.986 11.981 9.253 1.00 0.00 H new ATOM 0 H2' U A 41 5.299 11.055 9.595 1.00 0.00 H new ATOM 0 HO2' U A 41 5.777 13.453 10.457 1.00 0.00 H new ATOM 0 H1' U A 41 5.026 10.746 12.346 1.00 0.00 H new ATOM 0 H3 U A 41 4.871 6.668 10.391 1.00 0.00 H new ATOM 0 H5 U A 41 0.882 7.975 10.701 1.00 0.00 H new ATOM 0 H6 U A 41 1.693 10.163 11.277 1.00 0.00 H new ATOM 469 P G A 42 4.341 13.391 7.466 1.00 0.00 P ATOM 470 OP1 G A 42 4.659 14.710 6.876 1.00 0.00 O ATOM 471 OP2 G A 42 3.219 12.597 6.918 1.00 0.00 O ATOM 472 O5' G A 42 5.671 12.486 7.400 1.00 0.00 O ATOM 473 C5' G A 42 6.938 13.045 7.653 1.00 0.00 C ATOM 474 C4' G A 42 8.004 11.951 7.701 1.00 0.00 C ATOM 475 O4' G A 42 7.627 10.885 8.554 1.00 0.00 O ATOM 476 C3' G A 42 8.317 11.305 6.357 1.00 0.00 C ATOM 477 O3' G A 42 9.141 12.149 5.582 1.00 0.00 O ATOM 478 C2' G A 42 9.035 10.054 6.833 1.00 0.00 C ATOM 479 O2' G A 42 10.360 10.353 7.215 1.00 0.00 O ATOM 480 C1' G A 42 8.214 9.686 8.068 1.00 0.00 C ATOM 481 N9 G A 42 7.170 8.713 7.704 1.00 0.00 N ATOM 482 C8 G A 42 5.855 8.933 7.409 1.00 0.00 C ATOM 483 N7 G A 42 5.168 7.849 7.182 1.00 0.00 N ATOM 484 C5 G A 42 6.101 6.831 7.343 1.00 0.00 C ATOM 485 C6 G A 42 5.935 5.426 7.238 1.00 0.00 C ATOM 486 O6 G A 42 4.915 4.795 6.970 1.00 0.00 O ATOM 487 N1 G A 42 7.124 4.759 7.489 1.00 0.00 N ATOM 488 C2 G A 42 8.327 5.360 7.797 1.00 0.00 C ATOM 489 N2 G A 42 9.372 4.546 7.998 1.00 0.00 N ATOM 490 N3 G A 42 8.483 6.683 7.901 1.00 0.00 N ATOM 491 C4 G A 42 7.330 7.350 7.661 1.00 0.00 C ATOM 0 H5' G A 42 6.921 13.587 8.599 1.00 0.00 H new ATOM 0 H5'' G A 42 7.185 13.768 6.876 1.00 0.00 H new ATOM 0 H4' G A 42 8.883 12.485 8.062 1.00 0.00 H new ATOM 0 H3' G A 42 7.464 11.106 5.709 1.00 0.00 H new ATOM 0 H2' G A 42 9.105 9.271 6.078 1.00 0.00 H new ATOM 0 HO2' G A 42 10.679 11.129 6.709 1.00 0.00 H new ATOM 0 H1' G A 42 8.842 9.231 8.834 1.00 0.00 H new ATOM 0 H8 G A 42 5.421 9.921 7.367 1.00 0.00 H new ATOM 0 H1 G A 42 7.108 3.740 7.442 1.00 0.00 H new ATOM 0 H21 G A 42 10.286 4.936 8.229 1.00 0.00 H new ATOM 0 H22 G A 42 9.254 3.536 7.920 1.00 0.00 H new ATOM 503 P A A 43 9.191 12.010 3.981 1.00 0.00 P ATOM 504 OP1 A A 43 10.170 12.992 3.462 1.00 0.00 O ATOM 505 OP2 A A 43 7.800 12.023 3.476 1.00 0.00 O ATOM 506 O5' A A 43 9.790 10.535 3.762 1.00 0.00 O ATOM 507 C5' A A 43 11.180 10.296 3.781 1.00 0.00 C ATOM 508 C4' A A 43 11.461 8.835 3.426 1.00 0.00 C ATOM 509 O4' A A 43 10.905 7.957 4.386 1.00 0.00 O ATOM 510 C3' A A 43 10.882 8.415 2.079 1.00 0.00 C ATOM 511 O3' A A 43 11.732 8.762 1.009 1.00 0.00 O ATOM 512 C2' A A 43 10.795 6.911 2.249 1.00 0.00 C ATOM 513 O2' A A 43 11.994 6.302 1.825 1.00 0.00 O ATOM 514 C1' A A 43 10.619 6.723 3.750 1.00 0.00 C ATOM 515 N9 A A 43 9.221 6.338 3.991 1.00 0.00 N ATOM 516 C8 A A 43 8.122 7.148 4.021 1.00 0.00 C ATOM 517 N7 A A 43 6.994 6.504 4.150 1.00 0.00 N ATOM 518 C5 A A 43 7.380 5.166 4.201 1.00 0.00 C ATOM 519 C6 A A 43 6.656 3.967 4.302 1.00 0.00 C ATOM 520 N6 A A 43 5.319 3.915 4.384 1.00 0.00 N ATOM 521 N1 A A 43 7.353 2.821 4.302 1.00 0.00 N ATOM 522 C2 A A 43 8.674 2.863 4.209 1.00 0.00 C ATOM 523 N3 A A 43 9.470 3.917 4.103 1.00 0.00 N ATOM 524 C4 A A 43 8.741 5.057 4.105 1.00 0.00 C ATOM 0 H5' A A 43 11.584 10.524 4.768 1.00 0.00 H new ATOM 0 H5'' A A 43 11.681 10.955 3.072 1.00 0.00 H new ATOM 0 H4' A A 43 12.548 8.768 3.395 1.00 0.00 H new ATOM 0 H3' A A 43 9.935 8.897 1.837 1.00 0.00 H new ATOM 0 H2' A A 43 9.989 6.466 1.666 1.00 0.00 H new ATOM 0 HO2' A A 43 12.443 6.882 1.175 1.00 0.00 H new ATOM 0 HO3' A A 43 11.328 8.475 0.164 1.00 0.00 H new ATOM 0 H1' A A 43 11.285 5.954 4.142 1.00 0.00 H new ATOM 0 H8 A A 43 8.181 8.224 3.945 1.00 0.00 H new ATOM 0 H61 A A 43 4.847 3.014 4.456 1.00 0.00 H new ATOM 0 H62 A A 43 4.774 4.777 4.375 1.00 0.00 H new ATOM 0 H2 A A 43 9.171 1.904 4.221 1.00 0.00 H new TER 537 A A 43 CONECT 352 395 CONECT 378 379 383 398 CONECT 379 378 380 384 CONECT 380 379 381 399 CONECT 381 380 382 385 CONECT 382 381 383 386 CONECT 383 378 382 400 CONECT 384 379 CONECT 385 381 CONECT 386 382 387 392 401 CONECT 387 386 388 389 402 CONECT 388 387 403 CONECT 389 387 390 391 404 CONECT 390 389 392 393 405 CONECT 391 389 408 CONECT 392 386 390 CONECT 393 390 394 406 407 CONECT 394 393 395 CONECT 395 352 394 396 397 CONECT 396 395 CONECT 397 395 CONECT 398 378 CONECT 399 380 CONECT 400 383 CONECT 401 386 CONECT 402 387 CONECT 403 388 CONECT 404 389 CONECT 405 390 CONECT 406 393 CONECT 407 393 CONECT 408 391 END